Bromide

Bromide

SCHEMBL8359253

Br.Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
RAB9A P51151 8/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 4/20 0.54
KDM4E B2RXH2 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LTA4H P09960 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX5 P09917 1/20 0.54
GAA P10253 2/20 0.53
AR P10275 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1068291 0.98 MAPT (0.97) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29653981 0.91 MAPT (0.83) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Bromide SCHEMBL8360677 0.81 MAPT (0.68) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL8685929 0.81 MAPT (0.69) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4075558 0.81 MAPT (0.69) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4307134 0.80 MAPT (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6249716 0.80 MAPT (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL11491739 0.80 MAPT (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1771825 0.80 ALDH1A1 (0.79) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8124240 0.80 MAPT (0.66) MAPTRAB9AALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US disclosed